CID 5272088

Chembl114509

Structural Information

Molecular Formula
C20H19BrN4
SMILES
CC(C)C1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=C(N3C)C=CC(=C4)Br
InChI
InChI=1S/C20H19BrN4/c1-11(2)12-4-6-13(7-5-12)17-19-18(23-24-20(17)22)15-10-14(21)8-9-16(15)25(19)3/h4-11H,1-3H3,(H2,22,24)
InChIKey
NCQORPIRKOYONW-UHFFFAOYSA-N
Compound name
8-bromo-5-methyl-4-(4-propan-2-ylphenyl)pyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.0793 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08658 190.1
[M+Na]+ 417.06852 203.8
[M-H]- 393.07202 198.0
[M+NH4]+ 412.11312 205.3
[M+K]+ 433.04246 189.8
[M+H-H2O]+ 377.07656 187.1
[M+HCOO]- 439.07750 207.0
[M+CH3COO]- 453.09315 202.2
[M+Na-2H]- 415.05397 193.5
[M]+ 394.07875 210.8
[M]- 394.07985 210.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.